G558-0135 Screening compound: 5-TERT-BUTYL-3-(3,4-DIMETHOXYBENZOYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

G558-0135 Screening compound: 5-TERT-BUTYL-3-(3,4-DIMETHOXYBENZOYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE
G558-0135 Screening compound: 5-TERT-BUTYL-3-(3,4-DIMETHOXYBENZOYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound G558-0135
5-TERT-BUTYL-3-(3,4-DIMETHOXYBENZOYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

G558-0135

Molecular Formula

C20H21NO5 (C20 H21 NO5)

Compound Name

5-TERT-BUTYL-3-(3,4-DIMETHOXYBENZOYL)-2,3-DIHYDRO-1,3-BENZOXAZOL-2-ONE

IUPAC name

5-tert-butyl-3-(34-dimethoxybenzoyl)-23-dihydro-13-benzoxazol-2-one

SMILES

CC(C)(C)c(cc1)cc(N2C(c(cc3)cc(OC)c3OC)=O)c1OC2=O

InChI

InChI=1S/C20H21NO5/c1-20(2,3)13-7-9-15-14(11-13)21(19(23)26-15)18(22)12-6-8-16(24-4)17(10-12)25-5/h6-11H,1-5H3

InChI Key

ZUUKSRZEZWVYQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15019877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.82

Polar Surface Area

50.912

Acid Dissociation Constant (pKa)

30.17

Base Dissociation Constant (pKb)

-5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G558-0135 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

STING Agonist Library (5895 compounds)

Targeted Diversity Library (40567 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Immune system
  • Immune system
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Targets:
  • Others

References: we are preparing a list of scientific research reports with G558-0135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G558-0135?
Check Price and Availability of G558-0135, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of G558-0135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G558-0135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G558-0135
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of G558-0135 available by request